7-cyclohexyl-6-[(E)-2-phenylethenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

Systemtic Name: 7-cyclohexyl-6-[(E)-2-phenylethenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid Openeye Name: 7-cyclohexyl-6-[(E)-styryl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid CAS Name: 7-cyclohexyl-6-[(E)-2-phenylethenyl]-3-pyrazolo[1,5-a]pyrimidinecarboxylic acid IUPAC Name: 7-cyclohexyl-6-[(E)-2-phenylethenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid Traditional Name: 7-cyclohexyl-6-[(E)-styryl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid Formula: C21H21N3O2 MolecularWeight: 347.41034

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=C(C=NC3=C(C=NN23)C(=O)O)C=CC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)C2=C(C=NC3=C(C=NN23)C(=O)O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C21H21N3O2/c25-21(26)18-14-23-24-19(16-9-5-2-6-10-16)17(13-22-20(18)24)12-11-15-7-3-1-4-8-15/h1,3-4,7-8,11-14,16H,2,5-6,9-10H2,(H,25,26)/b12-11+